CID 219704

5348-94-7

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)N(C)C
InChI
InChI=1S/C19H23NO2/c1-15(20(2)3)14-19(18(21)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,21,22)
InChIKey
YGJYNWQCJYLWLV-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2,2-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

297.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.9
[M+Na]+ 320.16210 175.1
[M-H]- 296.16560 177.7
[M+NH4]+ 315.20670 186.0
[M+K]+ 336.13604 172.7
[M+H-H2O]+ 280.17014 163.9
[M+HCOO]- 342.17108 191.6
[M+CH3COO]- 356.18673 208.0
[M+Na-2H]- 318.14755 174.9
[M]+ 297.17233 171.8
[M]- 297.17343 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe